HMDB0056354 RDKit 3D DG(22:4n6/0:0/18:4n3) 116115 0 0 0 0 0 0 0 0999 V2000 15.2639 -3.4379 3.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6162 -3.5582 1.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1731 -3.4644 1.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3703 -2.5723 1.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8921 -1.4900 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2465 -1.5392 -0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5447 -0.5432 -1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 0.7163 -0.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9280 1.8461 -1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2891 2.9056 -1.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8542 3.1045 -1.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1957 3.1901 -2.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2563 2.4187 -3.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6959 1.3116 -2.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 1.5048 -2.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9066 2.7881 -1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4183 2.9235 -1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8569 1.7946 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6723 1.9070 0.6926 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 0.6207 -1.1861 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 -0.4968 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6085 -0.1064 -0.0067 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0960 -1.2646 0.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 0.2571 -1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5711 0.4854 -0.8066 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 1.4277 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1495 2.1634 0.6375 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 1.6204 0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 0.9978 1.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 -0.4716 1.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2809 -1.3316 0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7638 -1.2518 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4521 -1.4694 1.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3439 -0.7224 2.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9342 0.5233 2.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6099 1.1838 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 1.3819 -0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7713 0.9799 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4914 0.2437 0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5847 0.7512 1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1826 2.0236 0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5075 2.1783 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3155 1.2718 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1101 -0.1588 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1651 -0.7482 -1.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9179 -2.2282 -1.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9147 -2.9520 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5730 -4.4449 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2988 -3.0859 2.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3212 -4.4593 3.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7052 -2.7297 3.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0954 -2.8694 1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8900 -4.5929 1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6974 -4.2317 2.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2760 -2.5883 1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8565 -0.5505 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9886 -1.6634 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3543 -2.4503 -1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0862 -0.6372 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2433 0.7771 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7628 0.7324 0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0201 1.7480 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8625 3.6520 -2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4675 2.3890 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 4.1346 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5577 3.9978 -3.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 2.6073 -4.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7512 0.3996 -3.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1955 1.0411 -1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6922 1.5834 -3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8364 0.6367 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3664 3.6605 -1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3144 2.6376 -0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 3.9136 -0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9731 2.8707 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 -1.2965 -1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 -0.8435 0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 0.7280 0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7777 -1.8352 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 -0.5772 -1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1232 1.1739 -1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 2.7259 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0969 1.3132 -0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9026 1.2420 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 1.4880 2.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5879 -0.7464 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 -0.7655 2.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 -1.2737 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0809 -2.4150 1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 -0.4377 -0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9997 -2.1758 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -2.4076 2.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7335 -1.1039 3.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4945 1.2867 2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0049 0.5895 2.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5895 1.6532 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9267 1.9412 -1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7717 0.2778 -1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4016 1.8264 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1916 -0.7703 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0300 0.1302 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2936 2.5065 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4535 2.7871 0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9058 3.2565 0.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3168 1.6496 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0949 -0.5913 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3651 -0.6379 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3679 -0.3381 -2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1588 -0.5847 -1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9459 -2.7073 -2.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8621 -2.4191 -1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8834 -2.5678 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9017 -2.8584 -1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4483 -4.9499 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7077 -4.6274 0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4441 -4.8376 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 21 76 1 0 21 77 1 0 22 78 1 1 23 79 1 0 24 80 1 0 24 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 48116 1 0 M END